(1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C26H24N6S2 — CID 146466881

About (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466881) has the molecular formula C26H24N6S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 146466881
• Molecular Formula: C26H24N6S2
• Molecular Weight: 484.65 g/mol
• Exact Mass: 484.15
• IUPAC Name: (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4ccsc34)c3nccn13)CC2
• InChI: InChI=1S/C26H24N6S2/c27-23-18-4-2-1-3-17(18)15-26(23)7-11-31(12-8-26)25-30-16-21(24-29-10-13-32(24)25)34-20-5-9-28-19-6-14-33-22(19)20/h1-6,9-10,13-14,16,23H,7-8,11-12,15,27H2/t23-/m1/s1
• InChIKey: RWACCVNAMOXKCP-HSZRJFAPSA-N
• XLogP: 5.33
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.65
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466881) is (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4ccsc34)c3nccn13)CC2.

What is the InChIKey of (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is RWACCVNAMOXKCP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24N6S2/c27-23-18-4-2-1-3-17(18)15-26(23)7-11-31(12-8-26)25-30-16-21(24-29-10-13-32(24)25)34-20-5-9-28-19-6-14-33-22(19)20/h1-6,9-10,13-14,16,23H,7-8,11-12,15,27H2/t23-/m1/s1.

What are the key properties of (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 484.65 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-(8-thieno[3,2-b]pyridin-7-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).